- InChI
- InChI=1S/C2H4N2/c3-1-2-4/h1,3H2
- InChI Key
- DFNYGALUNNFWKJ-UHFFFAOYSA-N
- Formula
- C2H4N2
- SMILES
- N#CCN
- Molecular Weight1
- 56.07
- CAS
- 540-61-4
- Other Names
-
- H2NCH2CN
- Acetonitrile, amino-
- AAN
- «alpha»-Aminoacetonitrile
- 2-Aminoacetonitrile
- Cyanomethylamine
- Glycinenitrile
- Glycinonitrile
- NCCH2NH2
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 824.90 | kJ/mol | NIST |
| BasG | 791.00 | kJ/mol | NIST |
| ΔfG° | 165.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 114.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.17 | kJ/mol | Joback Calculated Property |
| log10WS | 0.04 | Crippen Calculated Property | |
| logPoct/wat | -0.531 | Crippen Calculated Property | |
| McVol | 50.400 | ml/mol | McGowan Calculated Property |
| Pc | 5266.25 | kPa | Joback Calculated Property |
| Tboil | 419.77 | K | Joback Calculated Property |
| Tc | 631.29 | K | Joback Calculated Property |
| Tfus | 260.55 | K | Joback Calculated Property |
| Vc | 0.203 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [88.64; 110.36] | J/mol×K | [419.77; 631.29] | 
|
| Cp,gas | 88.64 | J/mol×K | 419.77 | Joback Calculated Property |
| Cp,gas | 92.71 | J/mol×K | 455.02 | Joback Calculated Property |
| Cp,gas | 96.59 | J/mol×K | 490.28 | Joback Calculated Property |
| Cp,gas | 100.29 | J/mol×K | 525.53 | Joback Calculated Property |
| Cp,gas | 103.81 | J/mol×K | 560.78 | Joback Calculated Property |
| Cp,gas | 107.17 | J/mol×K | 596.04 | Joback Calculated Property |
| Cp,gas | 110.36 | J/mol×K | 631.29 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [331.00; 331.20] | K | [2.00; 2.00] |
|
| Tboilr | 331.20 | K | 2.00 | NIST |
| Tboilr | 331.00 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Aminoacetonitrile.
Sources
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